3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol

C10H14O2 — CID 141083501

IUPAC3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol
SMILESC#CCC12CCCC1(O)OCC2
InChIInChI=1S/C10H14O2/c1-2-4-9-5-3-6-10(9,11)12-8-7-9/h1,11H,3-8H2
InChIKeyBPSMVRBOZJSEHQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.29
Rot. Bonds1

About 3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol

3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol (PubChem CID 141083501) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol.

Molecular Properties

Compound Name3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol
PubChem CID141083501
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol
SMILESC#CCC12CCCC1(O)OCC2
InChIInChI=1S/C10H14O2/c1-2-4-9-5-3-6-10(9,11)12-8-7-9/h1,11H,3-8H2
InChIKeyBPSMVRBOZJSEHQ-UHFFFAOYSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol with MolForge

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Related Compounds

(3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol
CID 130348395
1-prop-2-ynylcyclobutan-1-ol
CID 22129000
ethyl 2-[[(6aS)-3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]propanoate
CID 87656739
CID 159549662
CID 159549662
1-prop-2-ynylcyclododecan-1-ol
CID 134093446
4-hydroxy-4-prop-2-ynylspiro[4.5]dec-9-en-8-one
CID 10442903
CID 163370495
CID 163370495
1-(6-prop-2-ynyl-1,4-dioxaspiro[4.5]decan-6-yl)ethanone
CID 10082280
tert-butyl-dimethyl-[(1-prop-2-ynylcyclobutyl)methoxy]silane
CID 165342832
(1-but-3-ynylcyclohexyl)methanol
CID 130129923
2-cyclohexyl-1-prop-2-ynylcyclohexan-1-ol
CID 63222330
(1S,4E)-1-prop-2-ynylcyclooct-4-en-1-ol
CID 162413964

Frequently Asked Questions

What is the IUPAC name of 3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol?
The IUPAC name of 3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol (CID 141083501) is 3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol.
What is the SMILES notation for 3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol?
The canonical SMILES for 3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol is C#CCC12CCCC1(O)OCC2.
What is the InChIKey of 3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol?
The InChIKey is BPSMVRBOZJSEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-4-9-5-3-6-10(9,11)12-8-7-9/h1,11H,3-8H2.
What are the key properties of 3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol?
3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol has a molecular weight of 166.22 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-prop-2-ynyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol is sourced from PubChem (CID 141083501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).